Vitas-M small molecule compound
2-{[(4-nitrophenoxy)acetyl]amino}-N-(prop-2-en-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK811512
SMILES C=CCNC(=O)c1c(NC(=O)COc2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-2-11-21-19(25)18-15-5-3-4-6-16(15)29-20(18)22-17(24)12-28-14-9-7-13(8-10-14)23(26)27/h2,7-10H,1,3-6,11-12H2,(H,21,25)(H,22,24)InChIKey
ZQRMBYLZWOPJCL-UHFFFAOYSA-NSynonyms
459180-05-32(((4nitrophenoxy)acetyl)amino)N(prop2en1yl)4567tetrahydro1benzothiophene3carboxamide
2((2(4nitrophenoxy)acetyl)amino)Nprop2enyl4567tetrahydro1benzothiophene3carboxamide
459180053
C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)(N+)(=O)(O)
C=CCNC(=O)c1c(NC(=O)COc2ccc(cc2)(N+)(=O)(O))sc2c1CCCC2
InChI=1SC20H21N3O5Sc12112119(25)1815534616(15)2920(18)2217(24)1228149713(81014)23(26)27h2710H1361112H2(H2125)(H2224)
MFCD02978241
ZINC000005638985
ZINC05638985
ZINC5638985
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